CID 2807197

Maybridge4_001045

Structural Information

Molecular Formula

C₁₉H₂₁N₃O₄

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N(CCC#N)CC2=CC=NC=C2

InChI

InChI=1S/C19H21N3O4/c1-24-16-11-15(12-17(25-2)18(16)26-3)19(23)22(10-4-7-20)13-14-5-8-21-9-6-14/h5-6,8-9,11-12H,4,10,13H2,1-3H3

InChIKey

HUCNZSPAWVKACH-UHFFFAOYSA-N

Compound name

N-(2-cyanoethyl)-3,4,5-trimethoxy-N-(pyridin-4-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 355.1532 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	356.160476	183.0
[M+Na]+	378.142418	190.8
[M-H]-	354.145924	187.6
[M+NH4]+	373.187023	193.0
[M+K]+	394.116358	188.0
[M+H-H2O]+	338.150460	166.5
[M+HCOO]-	400.151401	201.8
[M+CH3COO]-	414.167051	228.3
[M+Na-2H]-	376.127866	184.4
[M]+	355.15265142	183.8
[M]-	355.15374858	183.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.